2-(2,4-dimethylphenyl)-6,7-difluoro-3H-quinazolin-4-one

C16H12F2N2O — CID 163404458

IUPAC2-(2,4-dimethylphenyl)-6,7-difluoro-3H-quinazolin-4-one
SMILESCc1ccc(-c2nc3cc(F)c(F)cc3c(=O)[nH]2)c(C)c1
InChIInChI=1S/C16H12F2N2O/c1-8-3-4-10(9(2)5-8)15-19-14-7-13(18)12(17)6-11(14)16(21)20-15/h3-7H,1-2H3,(H,19,20,21)
InChIKeyAUQAHIQTCLGOBW-UHFFFAOYSA-N
MW286.28 g/mol
LogP3.49
Rot. Bonds1

About 2-(2,4-dimethylphenyl)-6,7-difluoro-3H-quinazolin-4-one

2-(2,4-dimethylphenyl)-6,7-difluoro-3H-quinazolin-4-one (PubChem CID 163404458) has the molecular formula C16H12F2N2O and a molecular weight of 286.28 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-6,7-difluoro-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-6,7-difluoro-3H-quinazolin-4-one
PubChem CID163404458
Molecular FormulaC16H12F2N2O
Molecular Weight286.28 g/mol
Exact Mass286.09
IUPAC Name2-(2,4-dimethylphenyl)-6,7-difluoro-3H-quinazolin-4-one
SMILESCc1ccc(-c2nc3cc(F)c(F)cc3c(=O)[nH]2)c(C)c1
InChIInChI=1S/C16H12F2N2O/c1-8-3-4-10(9(2)5-8)15-19-14-7-13(18)12(17)6-11(14)16(21)20-15/h3-7H,1-2H3,(H,19,20,21)
InChIKeyAUQAHIQTCLGOBW-UHFFFAOYSA-N
XLogP3.49
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6,7-difluoro-2-(4-methoxy-2,5-dimethylphenyl)-3H-quinazolin-4-one
CID 163404460
6,7-difluoro-2-(2-methylsulfanylphenyl)-3H-quinazolin-4-one
CID 163404507
6,7-difluoro-2-methyl-3H-quinazolin-4-one
CID 135742282
2-(4-bromophenyl)-6,7-difluoro-3H-quinazolin-4-one
CID 163404435
6,7-difluoro-2-thiophen-3-yl-3H-quinazolin-4-one
CID 163404502
5,6-dichloro-2-(2,4-dimethylphenyl)-1H-benzimidazole
CID 78912050
2-(2,4-dimethylphenyl)-1H-benzimidazole
CID 17010591
2-(5,6-difluoro-1H-benzimidazol-2-yl)-4-methylaniline
CID 43470869
6-bromo-2-(2,4-dimethylphenyl)-1H-benzimidazole
CID 64723329
5-bromo-4-cyclopentyl-2-(2,4-dimethylphenyl)-1H-pyrimidin-6-one
CID 136730055
(2,4-difluorophenyl)methanamine;2-(2-fluorophenyl)-7-methyl-3H-quinazolin-4-one;molecular hydrogen
CID 143686425
2-[4-[bis(2-chloroethyl)amino]-2-methylphenyl]-3H-quinazolin-4-one
CID 168552127

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-6,7-difluoro-3H-quinazolin-4-one?
The IUPAC name of 2-(2,4-dimethylphenyl)-6,7-difluoro-3H-quinazolin-4-one (CID 163404458) is 2-(2,4-dimethylphenyl)-6,7-difluoro-3H-quinazolin-4-one.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-6,7-difluoro-3H-quinazolin-4-one?
The canonical SMILES for 2-(2,4-dimethylphenyl)-6,7-difluoro-3H-quinazolin-4-one is Cc1ccc(-c2nc3cc(F)c(F)cc3c(=O)[nH]2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-6,7-difluoro-3H-quinazolin-4-one?
The InChIKey is AUQAHIQTCLGOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O/c1-8-3-4-10(9(2)5-8)15-19-14-7-13(18)12(17)6-11(14)16(21)20-15/h3-7H,1-2H3,(H,19,20,21).
What are the key properties of 2-(2,4-dimethylphenyl)-6,7-difluoro-3H-quinazolin-4-one?
2-(2,4-dimethylphenyl)-6,7-difluoro-3H-quinazolin-4-one has a molecular weight of 286.28 g/mol, XLogP of 3.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-6,7-difluoro-3H-quinazolin-4-one is sourced from PubChem (CID 163404458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).